#------------------------------------------------------------------------------
#$Date: 2016-03-23 23:02:51 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179500 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/97/4339796.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4339796
loop_
_publ_author_name
'Tran, Ngon T.'
'Stork, Jay R.'
'Pham, David'
'Chancellor, Christopher J.'
'Olmstead, Marilyn M.'
'Fettinger, James C.'
'Balch, Alan L.'
_publ_section_title
;
 Adventures in crystallization. Crystalline salts containing one, two, or
 even three chemically distinct cations obtained from solutions of
 [(cyclohexyl isocyanide)(4)Rh(I)]+.
;
_journal_issue                   19
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7998
_journal_page_last               8007
_journal_paper_doi               10.1021/ic7008013
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C84 H132 N12 Rh3, 3(As F6)'
_chemical_formula_sum            'C84 H132 As3 F18 N12 Rh3'
_chemical_formula_weight         2185.51
_chemical_name_common            '[(C6H11NC)12Rh3](AsF6)3'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                114.214(2)
_cell_angle_beta                 118.089(2)
_cell_angle_gamma                90.083(2)
_cell_formula_units_Z            1
_cell_length_a                   14.1370(15)
_cell_length_b                   14.5845(15)
_cell_length_c                   14.9187(15)
_cell_measurement_reflns_used    6689
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      28.1
_cell_measurement_theta_min      2.57
_cell_volume                     2401.5(4)
_computing_cell_refinement       SAINT
_computing_data_collection       'Apex2 v.1.0-2.2 (Bruker, 2003)'
_computing_data_reduction        'SAINT v7.06A (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL 5.1 (Sheldrick, 1994)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART Apex II'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0223
_diffrn_reflns_av_sigmaI/netI    0.0239
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            32921
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.73
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.617
_exptl_absorpt_correction_T_max  0.7706
_exptl_absorpt_correction_T_min  0.7380
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2.10 (Sheldrick, 2004)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.511
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1116
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.695
_refine_diff_density_min         -0.643
_refine_diff_density_rms         0.084
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         8640
_refine_ls_number_restraints     52
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0471
_refine_ls_R_factor_gt           0.0418
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0599P)²+3.4096P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1076
_refine_ls_wR_factor_ref         0.1108
_reflns_number_gt                7952
_reflns_number_total             8640
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic7008013-file003.cif
_cod_data_source_block           jf1260a4
_cod_database_code               4339796
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.5000 0.5000 0.5000 0.02981(13) Uani 1 2 d S . .
C1 C 0.6576(5) 0.5737(4) 0.5992(4) 0.0341(11) Uani 1 1 d . A .
N1 N 0.7477(4) 0.6176(3) 0.6541(4) 0.0395(10) Uani 1 1 d . . .
C2 C 0.8577(4) 0.6868(5) 0.7223(5) 0.0525(15) Uani 1 1 d . A .
H2 H 0.8951 0.6660 0.6769 0.063 Uiso 1 1 calc R . .
C3 C 0.9258(6) 0.6790(6) 0.8321(6) 0.068(2) Uani 1 1 d . . .
H3A H 0.9347 0.6075 0.8142 0.082 Uiso 1 1 calc R A .
H3B H 0.8885 0.6969 0.8769 0.082 Uiso 1 1 calc R . .
C4 C 1.0423(6) 0.7572(8) 0.9035(7) 0.094(3) Uani 1 1 d . A .
H4A H 1.0868 0.7563 0.9779 0.113 Uiso 1 1 calc R . .
H4B H 1.0816 0.7342 0.8611 0.113 Uiso 1 1 calc R . .
C5 C 1.0327(6) 0.8634(6) 0.9251(7) 0.076(2) Uani 1 1 d . . .
H5A H 1.1074 0.9082 0.9655 0.091 Uiso 1 1 calc R A .
H5B H 1.0025 0.8894 0.9763 0.091 Uiso 1 1 calc R . .
C6 C 0.9607(6) 0.8719(7) 0.8184(7) 0.075(2) Uani 1 1 d . A .
H6A H 0.9953 0.8549 0.7711 0.091 Uiso 1 1 calc R . .
H6B H 0.9527 0.9440 0.8389 0.091 Uiso 1 1 calc R . .
C7 C 0.8471(4) 0.7981(3) 0.7496(4) 0.0528(15) Uani 1 1 d . . .
H7A H 0.8012 0.8019 0.6772 0.063 Uiso 1 1 calc R A .
H7B H 0.8097 0.8192 0.7942 0.063 Uiso 1 1 calc R . .
Rh2 Rh 0.4549(4) 0.6822(3) 0.4488(4) 0.0288(3) Uani 0.50 1 d PR A -1
Rh2A Rh 0.5270(4) 0.3160(3) 0.5493(4) 0.0455(10) Uani 0.50 1 d PR A -1
C8 C 0.4683(14) 0.5828(13) 0.6248(14) 0.029(5) Uiso 0.50 1 d P A -1
N2 N 0.4563(11) 0.6331(10) 0.7000(11) 0.034(4) Uiso 0.50 1 d P A -1
C9 C 0.4354(8) 0.7013(8) 0.7864(8) 0.023(2) Uiso 0.50 1 d P A -1
H9 H 0.4948 0.7109 0.8632 0.028 Uiso 0.50 1 calc PR A -1
C10 C 0.4337(8) 0.8046(8) 0.7870(8) 0.033(2) Uiso 0.50 1 d P A -1
H10A H 0.3805 0.7941 0.7086 0.040 Uiso 0.50 1 calc PR A -1
H10B H 0.5078 0.8374 0.8090 0.040 Uiso 0.50 1 calc PR A -1
C11 C 0.4009(9) 0.8775(9) 0.8710(10) 0.042(2) Uiso 0.50 1 d P A -1
H11A H 0.3959 0.9430 0.8657 0.051 Uiso 0.50 1 calc PR A -1
H11B H 0.4578 0.8942 0.9507 0.051 Uiso 0.50 1 calc PR A -1
C12 C 0.2871(9) 0.8232(8) 0.8402(10) 0.037(2) Uiso 0.50 1 d P A -1
H12A H 0.2675 0.8682 0.8964 0.044 Uiso 0.50 1 calc PR A -1
H12B H 0.2293 0.8126 0.7632 0.044 Uiso 0.50 1 calc PR A -1
C13 C 0.2907(9) 0.7210(9) 0.8408(10) 0.044(2) Uiso 0.50 1 d P A -1
H13A H 0.2170 0.6876 0.8193 0.053 Uiso 0.50 1 calc PR A -1
H13B H 0.3443 0.7325 0.9195 0.053 Uiso 0.50 1 calc PR A -1
C14 C 0.3234(8) 0.6493(8) 0.7586(9) 0.037(2) Uiso 0.50 1 d P A -1
H14A H 0.2661 0.6319 0.6788 0.045 Uiso 0.50 1 calc PR A -1
H14B H 0.3287 0.5842 0.7646 0.045 Uiso 0.50 1 calc PR A -1
C8A C 0.5156(14) 0.4079(13) 0.3734(15) 0.031(5) Uiso 0.50 1 d P A -1
N2A N 0.5283(10) 0.3515(9) 0.2995(10) 0.030(3) Uiso 0.50 1 d P A -1
C9A C 0.5495(11) 0.2720(11) 0.2162(11) 0.042(3) Uiso 0.50 1 d P A -1
H9A H 0.4827 0.2127 0.1612 0.050 Uiso 0.50 1 calc PR A -1
C10A C 0.6471(9) 0.2329(9) 0.2752(10) 0.044(2) Uiso 0.50 1 d P A -1
H10C H 0.7114 0.2925 0.3366 0.053 Uiso 0.50 1 calc PR A -1
H10D H 0.6295 0.1975 0.3116 0.053 Uiso 0.50 1 calc PR A -1
C11A C 0.6774(13) 0.1591(11) 0.1933(13) 0.063(4) Uiso 0.50 1 d P A -1
H11C H 0.7447 0.1394 0.2366 0.075 Uiso 0.50 1 calc PR A -1
H11D H 0.6168 0.0954 0.1379 0.075 Uiso 0.50 1 calc PR A -1
C12A C 0.6978(11) 0.2049(11) 0.1288(12) 0.053(3) Uiso 0.50 1 d P A -1
H12C H 0.7153 0.1533 0.0740 0.063 Uiso 0.50 1 calc PR A -1
H12D H 0.7615 0.2660 0.1830 0.063 Uiso 0.50 1 calc PR A -1
C13A C 0.5957(11) 0.2367(10) 0.0646(11) 0.055(3) Uiso 0.50 1 d P A -1
H13C H 0.5323 0.1753 0.0101 0.066 Uiso 0.50 1 calc PR A -1
H13D H 0.6077 0.2654 0.0200 0.066 Uiso 0.50 1 calc PR A -1
C14A C 0.5700(12) 0.3180(10) 0.1490(12) 0.054(3) Uiso 0.50 1 d P A -1
H14C H 0.5037 0.3395 0.1067 0.064 Uiso 0.50 1 calc PR A -1
H14D H 0.6328 0.3799 0.2028 0.064 Uiso 0.50 1 calc PR A -1
C15 C 0.5746(11) 0.6683(9) 0.4237(9) 0.029(3) Uiso 0.50 1 d P A -1
N3 N 0.6462(9) 0.6540(8) 0.4038(9) 0.034(2) Uiso 0.50 1 d P A -1
C16 C 0.7261(11) 0.6323(10) 0.3667(11) 0.049(2) Uiso 0.50 1 d P A -1
H16 H 0.7522 0.5703 0.3730 0.059 Uiso 0.50 1 calc PR A -1
C17 C 0.8204(13) 0.7267(12) 0.4463(13) 0.055(2) Uiso 0.50 1 d P A -1
H17A H 0.8456 0.7421 0.5262 0.065 Uiso 0.50 1 calc PR A -1
H17B H 0.8824 0.7104 0.4336 0.065 Uiso 0.50 1 calc PR A -1
C18 C 0.7963(13) 0.8217(12) 0.4343(13) 0.065(3) Uiso 0.50 1 d P A -1
H18A H 0.8653 0.8770 0.4830 0.078 Uiso 0.50 1 calc PR A -1
H18B H 0.7440 0.8467 0.4600 0.078 Uiso 0.50 1 calc PR A -1
C19 C 0.7456(16) 0.7967(15) 0.3076(15) 0.067(3) Uiso 0.50 1 d P A -1
H19A H 0.7264 0.8590 0.2990 0.081 Uiso 0.50 1 calc PR A -1
H19B H 0.8007 0.7776 0.2843 0.081 Uiso 0.50 1 calc PR A -1
C20 C 0.6432(12) 0.7086(10) 0.2302(12) 0.051(2) Uiso 0.50 1 d P A -1
H20A H 0.5864 0.7285 0.2508 0.061 Uiso 0.50 1 calc PR A -1
H20B H 0.6124 0.6934 0.1494 0.061 Uiso 0.50 1 calc PR A -1
C21 C 0.6724(11) 0.6135(10) 0.2437(11) 0.050(2) Uiso 0.50 1 d P A -1
H21A H 0.7234 0.5904 0.2156 0.059 Uiso 0.50 1 calc PR A -1
H21B H 0.6044 0.5571 0.1954 0.059 Uiso 0.50 1 calc PR A -1
C15A C 0.3902(13) 0.3146(11) 0.5611(12) 0.038(3) Uiso 0.50 1 d P A -1
N3A N 0.3192(10) 0.3200(10) 0.5748(10) 0.043(3) Uiso 0.50 1 d P A -1
C16A C 0.2315(11) 0.3372(11) 0.6017(11) 0.049(2) Uiso 0.50 1 d PD A -1
H16A H 0.2096 0.4014 0.5982 0.059 Uiso 0.50 1 calc PR A -1
C17A C 0.1339(11) 0.2468(10) 0.5139(11) 0.055(2) Uiso 0.50 1 d PD A -1
H17C H 0.0707 0.2616 0.5249 0.065 Uiso 0.50 1 calc PR A -1
H17D H 0.1124 0.2361 0.4362 0.065 Uiso 0.50 1 calc PR A -1
C18A C 0.1583(13) 0.1540(12) 0.5227(13) 0.065(3) Uiso 0.50 1 d PD A -1
H18C H 0.2174 0.1367 0.5054 0.078 Uiso 0.50 1 calc PR A -1
H18D H 0.0917 0.0962 0.4638 0.078 Uiso 0.50 1 calc PR A -1
C19A C 0.1946(14) 0.1621(12) 0.6397(14) 0.067(3) Uiso 0.50 1 d PD A -1
H19C H 0.2129 0.0971 0.6415 0.081 Uiso 0.50 1 calc PR A -1
H19D H 0.1351 0.1752 0.6573 0.081 Uiso 0.50 1 calc PR A -1
C20A C 0.3002(13) 0.2557(11) 0.7294(12) 0.051(2) Uiso 0.50 1 d PD A -1
H20C H 0.3256 0.2658 0.8078 0.061 Uiso 0.50 1 calc PR A -1
H20D H 0.3604 0.2392 0.7138 0.061 Uiso 0.50 1 calc PR A -1
C21A C 0.2760(11) 0.3523(10) 0.7235(10) 0.050(2) Uiso 0.50 1 d PD A -1
H21C H 0.3443 0.4088 0.7778 0.059 Uiso 0.50 1 calc PR A -1
H21D H 0.2208 0.3725 0.7463 0.059 Uiso 0.50 1 calc PR A -1
C22 C 0.3591(10) 0.5701(8) 0.2897(9) 0.027(2) Uiso 0.50 1 d P A -1
N4 N 0.3070(8) 0.5105(6) 0.1979(7) 0.0259(18) Uiso 0.50 1 d P A -1
C23 C 0.2383(9) 0.4467(7) 0.0723(7) 0.0230(17) Uiso 0.50 1 d P A -1
H23 H 0.2153 0.3733 0.0540 0.028 Uiso 0.50 1 calc PR A -1
C24 C 0.1355(8) 0.4904(7) 0.0351(8) 0.033(2) Uiso 0.50 1 d P A -1
H24A H 0.0792 0.4424 -0.0458 0.039 Uiso 0.50 1 calc PR A -1
H24B H 0.1037 0.4952 0.0830 0.039 Uiso 0.50 1 calc PR A -1
C25 C 0.1620(9) 0.5963(9) 0.0461(9) 0.036(2) Uiso 0.50 1 d P A -1
H25A H 0.0921 0.6164 0.0101 0.043 Uiso 0.50 1 calc PR A -1
H25B H 0.2050 0.6474 0.1285 0.043 Uiso 0.50 1 calc PR A -1
C26 C 0.2268(10) 0.6002(9) -0.0090(10) 0.037(3) Uiso 0.50 1 d P A -1
H26A H 0.1780 0.5605 -0.0935 0.045 Uiso 0.50 1 calc PR A -1
H26B H 0.2503 0.6731 0.0103 0.045 Uiso 0.50 1 calc PR A -1
C27 C 0.3266(9) 0.5576(8) 0.0274(9) 0.029(2) Uiso 0.50 1 d P A -1
H27A H 0.3826 0.6051 0.1085 0.035 Uiso 0.50 1 calc PR A -1
H27B H 0.3590 0.5532 -0.0200 0.035 Uiso 0.50 1 calc PR A -1
C28 C 0.2977(9) 0.4498(7) 0.0145(9) 0.033(2) Uiso 0.50 1 d P A -1
H28A H 0.2515 0.4001 -0.0682 0.040 Uiso 0.50 1 calc PR A -1
H28B H 0.3667 0.4272 0.0466 0.040 Uiso 0.50 1 calc PR A -1
C22A C 0.6068(13) 0.4187(8) 0.7072(9) 0.039(3) Uiso 0.50 1 d P A -1
N4A N 0.6572(11) 0.4826(8) 0.8020(8) 0.049(3) Uiso 0.50 1 d P A -1
C23A C 0.7166(13) 0.5512(10) 0.9220(11) 0.061(3) Uiso 0.50 1 d PD A -1
H23A H 0.7231 0.6230 0.9307 0.073 Uiso 0.50 1 calc PR A -1
C24A C 0.8293(15) 0.5394(14) 0.9785(17) 0.082(5) Uiso 0.50 1 d PD A -1
H24C H 0.8734 0.5969 1.0576 0.099 Uiso 0.50 1 calc PR A -1
H24D H 0.8653 0.5398 0.9356 0.099 Uiso 0.50 1 calc PR A -1
C25A C 0.8218(15) 0.4404(14) 0.9806(17) 0.081(5) Uiso 0.50 1 d PD A -1
H25C H 0.8977 0.4357 1.0280 0.097 Uiso 0.50 1 calc PR A -1
H25D H 0.7918 0.3842 0.9014 0.097 Uiso 0.50 1 calc PR A -1
C26A C 0.7513(15) 0.4193(15) 1.0264(17) 0.090(6) Uiso 0.50 1 d PD A -1
H26C H 0.7523 0.3497 1.0220 0.108 Uiso 0.50 1 calc PR A -1
H26D H 0.7851 0.4706 1.1082 0.108 Uiso 0.50 1 calc PR A -1
C27A C 0.6333(18) 0.4243(17) 0.962(2) 0.107(8) Uiso 0.50 1 d PD A -1
H27C H 0.5930 0.4201 0.9996 0.128 Uiso 0.50 1 calc PR A -1
H27D H 0.5938 0.3683 0.8814 0.128 Uiso 0.50 1 calc PR A -1
C28A C 0.6486(15) 0.5408(12) 0.9675(15) 0.068(4) Uiso 0.50 1 d PD A -1
H28C H 0.5750 0.5513 0.9229 0.082 Uiso 0.50 1 calc PR A -1
H28D H 0.6830 0.5952 1.0482 0.082 Uiso 0.50 1 calc PR A -1
C29 C 0.3163(12) 0.6936(8) 0.4542(9) 0.021(3) Uiso 0.50 1 d P A -1
N5 N 0.2346(10) 0.6980(8) 0.4542(10) 0.033(3) Uiso 0.50 1 d P A -1
C30 C 0.1304(10) 0.7101(9) 0.4444(11) 0.038(3) Uiso 0.50 1 d P A -1
H30 H 0.1069 0.6614 0.4657 0.045 Uiso 0.50 1 calc PR A -1
C31 C 0.0475(11) 0.6777(10) 0.3186(11) 0.043(3) Uiso 0.50 1 d P A -1
H31A H -0.0283 0.6714 0.3052 0.052 Uiso 0.50 1 calc PR A -1
H31B H 0.0522 0.6093 0.2698 0.052 Uiso 0.50 1 calc PR A -1
C32 C 0.0735(12) 0.7636(11) 0.2841(12) 0.052(3) Uiso 0.50 1 d P A -1
H32A H 0.1442 0.7616 0.2855 0.063 Uiso 0.50 1 calc PR A -1
H32B H 0.0142 0.7464 0.2051 0.063 Uiso 0.50 1 calc PR A -1
C33 C 0.0805(11) 0.8687(10) 0.3643(11) 0.055(3) Uiso 0.50 1 d P A -1
H33A H 0.0064 0.8733 0.3537 0.066 Uiso 0.50 1 calc PR A -1
H33B H 0.1033 0.9194 0.3457 0.066 Uiso 0.50 1 calc PR A -1
C34 C 0.1621(11) 0.8975(11) 0.4896(11) 0.058(3) Uiso 0.50 1 d P A -1
H34A H 0.1594 0.9664 0.5395 0.070 Uiso 0.50 1 calc PR A -1
H34B H 0.2379 0.9020 0.5029 0.070 Uiso 0.50 1 calc PR A -1
C35 C 0.1360(11) 0.8176(9) 0.5223(11) 0.050(3) Uiso 0.50 1 d P A -1
H35A H 0.1938 0.8363 0.6022 0.060 Uiso 0.50 1 calc PR A -1
H35B H 0.0644 0.8199 0.5188 0.060 Uiso 0.50 1 calc PR A -1
C29A C 0.6584(14) 0.3038(12) 0.5501(14) 0.048(5) Uiso 0.50 1 d P A -1
N5A N 0.7480(15) 0.3004(11) 0.5587(13) 0.054(4) Uiso 0.50 1 d P A -1
C30A C 0.8590(13) 0.2854(11) 0.5817(13) 0.061(4) Uiso 0.50 1 d PD A -1
H30A H 0.8879 0.3250 0.5551 0.073 Uiso 0.50 1 calc PR A -1
C31A C 0.9411(15) 0.3167(14) 0.7054(14) 0.077(6) Uiso 0.50 1 d PD A -1
H31C H 1.0125 0.3041 0.7124 0.092 Uiso 0.50 1 calc PR A -1
H31D H 0.9528 0.3922 0.7506 0.092 Uiso 0.50 1 calc PR A -1
C32A C 0.912(2) 0.2656(17) 0.7556(19) 0.115(8) Uiso 0.50 1 d PD A -1
H32C H 0.8433 0.2806 0.7539 0.138 Uiso 0.50 1 calc PR A -1
H32D H 0.9716 0.2910 0.8367 0.138 Uiso 0.50 1 calc PR A -1
C33A C 0.896(2) 0.1496(16) 0.6884(17) 0.119(7) Uiso 0.50 1 d PD A -1
H33C H 0.8671 0.1124 0.7164 0.143 Uiso 0.50 1 calc PR A -1
H33D H 0.9673 0.1336 0.6991 0.143 Uiso 0.50 1 calc PR A -1
C34A C 0.8137(16) 0.1147(14) 0.5613(15) 0.095(5) Uiso 0.50 1 d PD A -1
H34C H 0.8059 0.0396 0.5182 0.114 Uiso 0.50 1 calc PR A -1
H34D H 0.7408 0.1238 0.5522 0.114 Uiso 0.50 1 calc PR A -1
C35A C 0.8398(15) 0.1672(12) 0.5069(14) 0.080(5) Uiso 0.50 1 d PD A -1
H35C H 0.7777 0.1439 0.4274 0.096 Uiso 0.50 1 calc PR A -1
H35D H 0.9070 0.1517 0.5045 0.096 Uiso 0.50 1 calc PR A -1
C36 C 0.5452(10) 0.8125(10) 0.6086(11) 0.026(4) Uiso 0.50 1 d P A -1
N6 N 0.5901(11) 0.8830(11) 0.6912(12) 0.039(4) Uiso 0.50 1 d P A -1
C37 C 0.6401(11) 0.9821(8) 0.7887(9) 0.039(2) Uiso 0.50 1 d P A -1
H37 H 0.6979 0.9739 0.8551 0.046 Uiso 0.50 1 calc PR A -1
C38 C 0.6975(15) 1.0550(14) 0.7678(15) 0.076(4) Uiso 0.50 1 d P A -1
H38A H 0.7496 1.0222 0.7457 0.092 Uiso 0.50 1 calc PR A -1
H38B H 0.7404 1.1208 0.8396 0.092 Uiso 0.50 1 calc PR A -1
C39 C 0.6091(14) 1.0784(13) 0.6690(13) 0.069(4) Uiso 0.50 1 d P A -1
H39A H 0.6447 1.1346 0.6658 0.083 Uiso 0.50 1 calc PR A -1
H39B H 0.5760 1.0158 0.5936 0.083 Uiso 0.50 1 calc PR A -1
C40 C 0.5208(16) 1.1111(15) 0.6983(17) 0.083(5) Uiso 0.50 1 d P A -1
H40A H 0.4586 1.1149 0.6320 0.099 Uiso 0.50 1 calc PR A -1
H40B H 0.5522 1.1817 0.7641 0.099 Uiso 0.50 1 calc PR A -1
C41 C 0.4746(14) 1.0383(13) 0.7287(14) 0.068(4) Uiso 0.50 1 d P A -1
H41A H 0.4244 1.0698 0.7547 0.082 Uiso 0.50 1 calc PR A -1
H41B H 0.4310 0.9712 0.6589 0.082 Uiso 0.50 1 calc PR A -1
C42 C 0.5590(13) 1.0206(12) 0.8150(13) 0.063(3) Uiso 0.50 1 d P A -1
H42A H 0.5258 0.9702 0.8270 0.075 Uiso 0.50 1 calc PR A -1
H42B H 0.5957 1.0863 0.8878 0.075 Uiso 0.50 1 calc PR A -1
C36A C 0.4480(12) 0.2015(10) 0.4062(11) 0.031(4) Uiso 0.50 1 d P A -1
N6A N 0.3941(10) 0.1235(10) 0.3176(11) 0.031(4) Uiso 0.50 1 d P A -1
C37A C 0.3245(11) 0.0207(9) 0.2206(11) 0.044(3) Uiso 0.50 1 d PD A -1
H37A H 0.2667 0.0302 0.1552 0.053 Uiso 0.50 1 calc PR A -1
C38A C 0.2694(15) -0.0330(15) 0.2561(16) 0.084(5) Uiso 0.50 1 d PD A -1
H38C H 0.2298 0.0132 0.2878 0.100 Uiso 0.50 1 calc PR A -1
H38D H 0.2138 -0.0960 0.1873 0.100 Uiso 0.50 1 calc PR A -1
C39A C 0.3451(14) -0.0621(13) 0.3405(14) 0.072(4) Uiso 0.50 1 d PD A -1
H39C H 0.3020 -0.1042 0.3528 0.086 Uiso 0.50 1 calc PR A -1
H39D H 0.3912 0.0015 0.4141 0.086 Uiso 0.50 1 calc PR A -1
C40A C 0.4231(11) -0.1252(10) 0.3062(11) 0.056(3) Uiso 0.50 1 d PD A -1
H40C H 0.4761 -0.1374 0.3707 0.067 Uiso 0.50 1 calc PR A -1
H40D H 0.3781 -0.1935 0.2391 0.067 Uiso 0.50 1 calc PR A -1
C41A C 0.4864(13) -0.0705(14) 0.2773(14) 0.072(4) Uiso 0.50 1 d PD A -1
H41C H 0.5256 -0.1164 0.2447 0.087 Uiso 0.50 1 calc PR A -1
H41D H 0.5409 -0.0070 0.3463 0.087 Uiso 0.50 1 calc PR A -1
C42A C 0.3922(12) -0.0423(12) 0.1832(12) 0.064(3) Uiso 0.50 1 d PD A -1
H42C H 0.4286 -0.0048 0.1612 0.076 Uiso 0.50 1 calc PR A -1
H42D H 0.3426 -0.1077 0.1137 0.076 Uiso 0.50 1 calc PR A -1
As1 As 0.77537(6) 0.86979(4) 0.06188(5) 0.05088(16) Uani 1 1 d . . .
F1 F 0.8330(11) 0.9463(8) 0.0179(10) 0.091(3) Uani 0.39 1 d PD B 2
F2 F 0.8953(9) 0.8182(8) 0.0781(10) 0.084(3) Uani 0.39 1 d PD B 2
F3 F 0.7309(11) 0.7882(8) 0.0819(10) 0.091(3) Uani 0.39 1 d PD B 2
F4 F 0.6630(9) 0.9123(8) 0.0129(10) 0.084(3) Uani 0.39 1 d PD B 2
F21 F 0.7250(6) 0.9571(5) 0.0200(5) 0.0731(15) Uani 0.61 1 d PD B 3
F22 F 0.8869(6) 0.8868(6) 0.0631(7) 0.0833(17) Uani 0.61 1 d PD B 3
F23 F 0.8183(7) 0.7835(4) 0.1204(5) 0.0731(15) Uani 0.61 1 d PD B 3
F24 F 0.6586(6) 0.8504(6) 0.0763(7) 0.0833(17) Uani 0.61 1 d PD B 3
F5 F 0.7136(4) 0.7727(2) -0.0776(3) 0.0685(9) Uani 1 1 d . B .
F6 F 0.8392(5) 0.9662(2) 0.1996(3) 0.0834(12) Uani 1 1 d . B .
As2 As 0.0000 0.5000 0.5000 0.0693(3) Uani 1 2 d S . .
F11 F -0.1184(4) 0.5006(4) 0.5068(5) 0.0788(11) Uani 1 1 d . . .
F12 F 0.0679(4) 0.4865(3) 0.6229(3) 0.0801(11) Uani 1 1 d . . .
F13 F 0.0405(4) 0.6313(3) 0.5807(3) 0.0815(11) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C8A Rh1 C8A 180.000(3) 2_666 .
C8A Rh1 C1 94.0(5) 2_666 2_666
C8A Rh1 C1 86.0(5) . 2_666
C8A Rh1 C1 86.0(5) 2_666 .
C8A Rh1 C1 94.0(5) . .
C1 Rh1 C1 180.0(2) 2_666 .
C8A Rh1 C8 6.8(8) 2_666 .
C8A Rh1 C8 173.2(8) . .
C1 Rh1 C8 87.9(5) 2_666 .
C1 Rh1 C8 92.1(5) . .
C8A Rh1 C8 173.2(8) 2_666 2_666
C8A Rh1 C8 6.8(8) . 2_666
C1 Rh1 C8 92.1(5) 2_666 2_666
C1 Rh1 C8 87.9(5) . 2_666
C8 Rh1 C8 180.000(3) . 2_666
C8A Rh1 Rh2A 98.7(5) 2_666 .
C8A Rh1 Rh2A 81.3(5) . .
C1 Rh1 Rh2A 83.60(16) 2_666 .
C1 Rh1 Rh2A 96.40(16) . .
C8 Rh1 Rh2A 95.0(5) . .
C8 Rh1 Rh2A 85.0(5) 2_666 .
C8A Rh1 Rh2A 81.3(5) 2_666 2_666
C8A Rh1 Rh2A 98.7(5) . 2_666
C1 Rh1 Rh2A 96.40(16) 2_666 2_666
C1 Rh1 Rh2A 83.60(16) . 2_666
C8 Rh1 Rh2A 85.0(5) . 2_666
C8 Rh1 Rh2A 95.0(5) 2_666 2_666
Rh2A Rh1 Rh2A 180.0 . 2_666
C8A Rh1 Rh2 101.0(5) 2_666 2_666
C8A Rh1 Rh2 79.0(5) . 2_666
C1 Rh1 Rh2 87.47(16) 2_666 2_666
C1 Rh1 Rh2 92.53(16) . 2_666
C8 Rh1 Rh2 97.7(5) . 2_666
C8 Rh1 Rh2 82.3(5) 2_666 2_666
Rh2A Rh1 Rh2 4.60(17) . 2_666
Rh2A Rh1 Rh2 175.40(17) 2_666 2_666
C8A Rh1 Rh2 79.0(5) 2_666 .
C8A Rh1 Rh2 101.0(5) . .
C1 Rh1 Rh2 92.53(16) 2_666 .
C1 Rh1 Rh2 87.47(16) . .
C8 Rh1 Rh2 82.3(5) . .
C8 Rh1 Rh2 97.7(5) 2_666 .
Rh2A Rh1 Rh2 175.40(17) . .
Rh2 Rh1 Rh2 180.0 2_666 .
N1 C1 Rh1 177.7(5) . .
C1 N1 C2 171.7(5) . .
N1 C2 C3 110.0(6) . .
N1 C2 C7 109.4(4) . .
C3 C2 C7 110.3(5) . .
N1 C2 H2 109.0 . .
C3 C2 H2 109.0 . .
C7 C2 H2 109.0 . .
C2 C3 C4 107.8(7) . .
C2 C3 H3A 110.2 . .
C4 C3 H3A 110.2 . .
C2 C3 H3B 110.2 . .
C4 C3 H3B 110.2 . .
H3A C3 H3B 108.5 . .
C5 C4 C3 112.1(6) . .
C5 C4 H4A 109.2 . .
C3 C4 H4A 109.2 . .
C5 C4 H4B 109.2 . .
C3 C4 H4B 109.2 . .
H4A C4 H4B 107.9 . .
C4 C5 C6 113.4(7) . .
C4 C5 H5A 108.9 . .
C6 C5 H5A 108.9 . .
C4 C5 H5B 108.9 . .
C6 C5 H5B 108.9 . .
H5A C5 H5B 107.7 . .
C5 C6 C7 110.3(6) . .
C5 C6 H6A 109.6 . .
C7 C6 H6A 109.6 . .
C5 C6 H6B 109.6 . .
C7 C6 H6B 109.6 . .
H6A C6 H6B 108.1 . .
C6 C7 C2 110.6(5) . .
C6 C7 H7A 109.5 . .
C2 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
C2 C7 H7B 109.5 . .
H7A C7 H7B 108.1 . .
C15 Rh2 C22 87.9(5) . .
C15 Rh2 C29 172.6(5) . .
C22 Rh2 C29 86.2(5) . .
C15 Rh2 C36 94.5(6) . .
C22 Rh2 C36 172.8(5) . .
C29 Rh2 C36 90.9(5) . .
C15 Rh2 Rh1 85.0(4) . .
C22 Rh2 Rh1 82.5(3) . .
C29 Rh2 Rh1 98.7(3) . .
C36 Rh2 Rh1 104.5(4) . .
C36A Rh2A C29A 91.2(7) . .
C36A Rh2A C22A 170.1(6) . .
C29A Rh2A C22A 90.8(7) . .
C36A Rh2A C15A 89.0(7) . .
C29A Rh2A C15A 170.7(6) . .
C22A Rh2A C15A 87.5(7) . .
C36A Rh2A Rh1 104.5(4) . .
C29A Rh2A Rh1 96.4(5) . .
C22A Rh2A Rh1 84.9(3) . .
C15A Rh2A Rh1 92.6(4) . .
N2 C8 Rh1 176.2(16) . .
C8 N2 C9 173.8(15) . .
N2 C9 C10 109.9(10) . .
N2 C9 C14 107.3(9) . .
C10 C9 C14 111.3(8) . .
N2 C9 H9 109.4 . .
C10 C9 H9 109.4 . .
C14 C9 H9 109.4 . .
C9 C10 C11 111.9(8) . .
C9 C10 H10A 109.2 . .
C11 C10 H10A 109.2 . .
C9 C10 H10B 109.2 . .
C11 C10 H10B 109.2 . .
H10A C10 H10B 107.9 . .
C10 C11 C12 109.1(9) . .
C10 C11 H11A 109.9 . .
C12 C11 H11A 109.9 . .
C10 C11 H11B 109.9 . .
C12 C11 H11B 109.9 . .
H11A C11 H11B 108.3 . .
C13 C12 C11 110.9(9) . .
C13 C12 H12A 109.5 . .
C11 C12 H12A 109.5 . .
C13 C12 H12B 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 108.1 . .
C12 C13 C14 112.1(9) . .
C12 C13 H13A 109.2 . .
C14 C13 H13A 109.2 . .
C12 C13 H13B 109.2 . .
C14 C13 H13B 109.2 . .
H13A C13 H13B 107.9 . .
C13 C14 C9 110.4(8) . .
C13 C14 H14A 109.6 . .
C9 C14 H14A 109.6 . .
C13 C14 H14B 109.6 . .
C9 C14 H14B 109.6 . .
H14A C14 H14B 108.1 . .
N2A C8A Rh1 177.6(15) . .
C8A N2A C9A 171.6(15) . .
N2A C9A C10A 111.1(10) . .
N2A C9A C14A 109.0(11) . .
C10A C9A C14A 110.4(11) . .
N2A C9A H9A 108.8 . .
C10A C9A H9A 108.8 . .
C14A C9A H9A 108.8 . .
C11A C10A C9A 112.1(10) . .
C11A C10A H10C 109.2 . .
C9A C10A H10C 109.2 . .
C11A C10A H10D 109.2 . .
C9A C10A H10D 109.2 . .
H10C C10A H10D 107.9 . .
C12A C11A C10A 112.3(12) . .
C12A C11A H11C 109.1 . .
C10A C11A H11C 109.1 . .
C12A C11A H11D 109.1 . .
C10A C11A H11D 109.1 . .
H11C C11A H11D 107.9 . .
C11A C12A C13A 109.0(11) . .
C11A C12A H12C 109.9 . .
C13A C12A H12C 109.9 . .
C11A C12A H12D 109.9 . .
C13A C12A H12D 109.9 . .
H12C C12A H12D 108.3 . .
C12A C13A C14A 110.0(11) . .
C12A C13A H13C 109.7 . .
C14A C13A H13C 109.7 . .
C12A C13A H13D 109.7 . .
C14A C13A H13D 109.7 . .
H13C C13A H13D 108.2 . .
C13A C14A C9A 109.3(11) . .
C13A C14A H14C 109.8 . .
C9A C14A H14C 109.8 . .
C13A C14A H14D 109.8 . .
C9A C14A H14D 109.8 . .
H14C C14A H14D 108.3 . .
N3 C15 Rh2 176.4(12) . .
C15 N3 C16 174.0(12) . .
N3 C16 C17 105.7(10) . .
N3 C16 C21 109.1(10) . .
C17 C16 C21 111.1(11) . .
N3 C16 H16 110.3 . .
C17 C16 H16 110.3 . .
C21 C16 H16 110.3 . .
C18 C17 C16 115.7(13) . .
C18 C17 H17A 108.3 . .
C16 C17 H17A 108.3 . .
C18 C17 H17B 108.3 . .
C16 C17 H17B 108.3 . .
H17A C17 H17B 107.4 . .
C17 C18 C19 109.4(13) . .
C17 C18 H18A 109.8 . .
C19 C18 H18A 109.8 . .
C17 C18 H18B 109.8 . .
C19 C18 H18B 109.8 . .
H18A C18 H18B 108.2 . .
C20 C19 C18 111.1(14) . .
C20 C19 H19A 109.4 . .
C18 C19 H19A 109.4 . .
C20 C19 H19B 109.4 . .
C18 C19 H19B 109.4 . .
H19A C19 H19B 108.0 . .
C21 C20 C19 109.4(12) . .
C21 C20 H20A 109.8 . .
C19 C20 H20A 109.8 . .
C21 C20 H20B 109.8 . .
C19 C20 H20B 109.8 . .
H20A C20 H20B 108.2 . .
C20 C21 C16 113.1(11) . .
C20 C21 H21A 109.0 . .
C16 C21 H21A 109.0 . .
C20 C21 H21B 109.0 . .
C16 C21 H21B 109.0 . .
H21A C21 H21B 107.8 . .
N3A C15A Rh2A 175.1(15) . .
C15A N3A C16A 174.5(16) . .
N3A C16A C17A 108.6(11) . .
N3A C16A C21A 108.8(11) . .
C17A C16A C21A 112.3(11) . .
N3A C16A H16A 109.0 . .
C17A C16A H16A 109.0 . .
C21A C16A H16A 109.0 . .
C18A C17A C16A 111.1(12) . .
C18A C17A H17C 109.4 . .
C16A C17A H17C 109.4 . .
C18A C17A H17D 109.4 . .
C16A C17A H17D 109.4 . .
H17C C17A H17D 108.0 . .
C17A C18A C19A 114.1(12) . .
C17A C18A H18C 108.7 . .
C19A C18A H18C 108.7 . .
C17A C18A H18D 108.7 . .
C19A C18A H18D 108.7 . .
H18C C18A H18D 107.6 . .
C18A C19A C20A 106.3(12) . .
C18A C19A H19C 110.5 . .
C20A C19A H19C 110.5 . .
C18A C19A H19D 110.5 . .
C20A C19A H19D 110.5 . .
H19C C19A H19D 108.7 . .
C21A C20A C19A 111.3(11) . .
C21A C20A H20C 109.4 . .
C19A C20A H20C 109.4 . .
C21A C20A H20D 109.4 . .
C19A C20A H20D 109.4 . .
H20C C20A H20D 108.0 . .
C20A C21A C16A 110.5(10) . .
C20A C21A H21C 109.6 . .
C16A C21A H21C 109.6 . .
C20A C21A H21D 109.6 . .
C16A C21A H21D 109.6 . .
H21C C21A H21D 108.1 . .
N4 C22 Rh2 175.9(10) . .
C22 N4 C23 170.2(10) . .
C28 C23 N4 111.9(9) . .
C28 C23 C24 112.0(7) . .
N4 C23 C24 105.3(7) . .
C28 C23 H23 109.2 . .
N4 C23 H23 109.2 . .
C24 C23 H23 109.2 . .
C25 C24 C23 112.0(8) . .
C25 C24 H24A 109.2 . .
C23 C24 H24A 109.2 . .
C25 C24 H24B 109.2 . .
C23 C24 H24B 109.2 . .
H24A C24 H24B 107.9 . .
C26 C25 C24 112.9(9) . .
C26 C25 H25A 109.0 . .
C24 C25 H25A 109.0 . .
C26 C25 H25B 109.0 . .
C24 C25 H25B 109.0 . .
H25A C25 H25B 107.8 . .
C27 C26 C25 113.6(9) . .
C27 C26 H26A 108.8 . .
C25 C26 H26A 108.8 . .
C27 C26 H26B 108.8 . .
C25 C26 H26B 108.8 . .
H26A C26 H26B 107.7 . .
C26 C27 C28 111.3(9) . .
C26 C27 H27A 109.4 . .
C28 C27 H27A 109.4 . .
C26 C27 H27B 109.4 . .
C28 C27 H27B 109.4 . .
H27A C27 H27B 108.0 . .
C23 C28 C27 113.2(8) . .
C23 C28 H28A 108.9 . .
C27 C28 H28A 108.9 . .
C23 C28 H28B 108.9 . .
C27 C28 H28B 108.9 . .
H28A C28 H28B 107.7 . .
N4A C22A Rh2A 177.6(14) . .
C22A N4A C23A 172.6(13) . .
N4A C23A C28A 107.9(13) . .
N4A C23A C24A 111.9(13) . .
C28A C23A C24A 117.0(12) . .
N4A C23A H23A 106.5 . .
C28A C23A H23A 106.5 . .
C24A C23A H23A 106.5 . .
C23A C24A C25A 107.2(13) . .
C23A C24A H24C 110.3 . .
C25A C24A H24C 110.3 . .
C23A C24A H24D 110.3 . .
C25A C24A H24D 110.3 . .
H24C C24A H24D 108.5 . .
C24A C25A C26A 117.1(15) . .
C24A C25A H25C 108.0 . .
C26A C25A H25C 108.0 . .
C24A C25A H25D 108.0 . .
C26A C25A H25D 108.0 . .
H25C C25A H25D 107.3 . .
C27A C26A C25A 113.4(15) . .
C27A C26A H26C 108.9 . .
C25A C26A H26C 108.9 . .
C27A C26A H26D 108.9 . .
C25A C26A H26D 108.9 . .
H26C C26A H26D 107.7 . .
C26A C27A C28A 102.0(14) . .
C26A C27A H27C 111.4 . .
C28A C27A H27C 111.4 . .
C26A C27A H27D 111.4 . .
C28A C27A H27D 111.4 . .
H27C C27A H27D 109.2 . .
C23A C28A C27A 111.7(12) . .
C23A C28A H28C 109.3 . .
C27A C28A H28C 109.3 . .
C23A C28A H28D 109.3 . .
C27A C28A H28D 109.3 . .
H28C C28A H28D 107.9 . .
N5 C29 Rh2 178.1(10) . .
C29 N5 C30 172.2(13) . .
N5 C30 C35 112.4(11) . .
N5 C30 C31 107.1(11) . .
C35 C30 C31 112.4(10) . .
N5 C30 H30 108.2 . .
C35 C30 H30 108.2 . .
C31 C30 H30 108.2 . .
C30 C31 C32 110.0(10) . .
C30 C31 H31A 109.7 . .
C32 C31 H31A 109.7 . .
C30 C31 H31B 109.7 . .
C32 C31 H31B 109.7 . .
H31A C31 H31B 108.2 . .
C33 C32 C31 111.0(11) . .
C33 C32 H32A 109.4 . .
C31 C32 H32A 109.4 . .
C33 C32 H32B 109.4 . .
C31 C32 H32B 109.4 . .
H32A C32 H32B 108.0 . .
C32 C33 C34 112.9(11) . .
C32 C33 H33A 109.0 . .
C34 C33 H33A 109.0 . .
C32 C33 H33B 109.0 . .
C34 C33 H33B 109.0 . .
H33A C33 H33B 107.8 . .
C33 C34 C35 111.8(11) . .
C33 C34 H34A 109.3 . .
C35 C34 H34A 109.3 . .
C33 C34 H34B 109.3 . .
C35 C34 H34B 109.3 . .
H34A C34 H34B 107.9 . .
C30 C35 C34 112.1(11) . .
C30 C35 H35A 109.2 . .
C34 C35 H35A 109.2 . .
C30 C35 H35B 109.2 . .
C34 C35 H35B 109.2 . .
H35A C35 H35B 107.9 . .
N5A C29A Rh2A 175.5(15) . .
C29A N5A C30A 169.0(16) . .
N5A C30A C31A 114.1(14) . .
N5A C30A C35A 104.7(13) . .
C31A C30A C35A 110.0(13) . .
N5A C30A H30A 109.3 . .
C31A C30A H30A 109.3 . .
C35A C30A H30A 109.3 . .
C32A C31A C30A 116.0(16) . .
C32A C31A H31C 108.3 . .
C30A C31A H31C 108.3 . .
C32A C31A H31D 108.3 . .
C30A C31A H31D 108.3 . .
H31C C31A H31D 107.4 . .
C31A C32A C33A 109.0(17) . .
C31A C32A H32C 109.9 . .
C33A C32A H32C 109.9 . .
C31A C32A H32D 109.9 . .
C33A C32A H32D 109.9 . .
H32C C32A H32D 108.3 . .
C32A C33A C34A 108.8(16) . .
C32A C33A H33C 109.9 . .
C34A C33A H33C 109.9 . .
C32A C33A H33D 109.9 . .
C34A C33A H33D 109.9 . .
H33C C33A H33D 108.3 . .
C35A C34A C33A 117.3(16) . .
C35A C34A H34C 108.0 . .
C33A C34A H34C 108.0 . .
C35A C34A H34D 108.0 . .
C33A C34A H34D 108.0 . .
H34C C34A H34D 107.2 . .
C34A C35A C30A 106.3(14) . .
C34A C35A H35C 110.5 . .
C30A C35A H35C 110.5 . .
C34A C35A H35D 110.5 . .
C30A C35A H35D 110.5 . .
H35C C35A H35D 108.7 . .
N6 C36 Rh2 177.4(13) . .
C36 N6 C37 171.5(15) . .
N6 C37 C42 109.1(12) . .
N6 C37 C38 110.0(12) . .
C42 C37 C38 113.4(12) . .
N6 C37 H37 108.1 . .
C42 C37 H37 108.1 . .
C38 C37 H37 108.1 . .
C37 C38 C39 110.9(13) . .
C37 C38 H38A 109.5 . .
C39 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
C39 C38 H38B 109.5 . .
H38A C38 H38B 108.1 . .
C40 C39 C38 106.8(14) . .
C40 C39 H39A 110.4 . .
C38 C39 H39A 110.4 . .
C40 C39 H39B 110.4 . .
C38 C39 H39B 110.4 . .
H39A C39 H39B 108.6 . .
C39 C40 C41 115.1(15) . .
C39 C40 H40A 108.5 . .
C41 C40 H40A 108.5 . .
C39 C40 H40B 108.5 . .
C41 C40 H40B 108.5 . .
H40A C40 H40B 107.5 . .
C42 C41 C40 112.3(15) . .
C42 C41 H41A 109.2 . .
C40 C41 H41A 109.2 . .
C42 C41 H41B 109.2 . .
C40 C41 H41B 109.2 . .
H41A C41 H41B 107.9 . .
C41 C42 C37 113.2(13) . .
C41 C42 H42A 108.9 . .
C37 C42 H42A 108.9 . .
C41 C42 H42B 108.9 . .
C37 C42 H42B 108.9 . .
H42A C42 H42B 107.7 . .
N6A C36A Rh2A 174.5(13) . .
C36A N6A C37A 170.0(14) . .
C42A C37A N6A 110.2(12) . .
C42A C37A C38A 109.8(11) . .
N6A C37A C38A 109.8(12) . .
C42A C37A H37A 109.0 . .
N6A C37A H37A 109.0 . .
C38A C37A H37A 109.0 . .
C39A C38A C37A 113.5(14) . .
C39A C38A H38C 108.9 . .
C37A C38A H38C 108.9 . .
C39A C38A H38D 108.9 . .
C37A C38A H38D 108.9 . .
H38C C38A H38D 107.7 . .
C38A C39A C40A 113.9(13) . .
C38A C39A H39C 108.8 . .
C40A C39A H39C 108.8 . .
C38A C39A H39D 108.8 . .
C40A C39A H39D 108.8 . .
H39C C39A H39D 107.7 . .
C41A C40A C39A 112.8(11) . .
C41A C40A H40C 109.0 . .
C39A C40A H40C 109.0 . .
C41A C40A H40D 109.0 . .
C39A C40A H40D 109.0 . .
H40C C40A H40D 107.8 . .
C40A C41A C42A 104.1(12) . .
C40A C41A H41C 110.9 . .
C42A C41A H41C 110.9 . .
C40A C41A H41D 110.9 . .
C42A C41A H41D 110.9 . .
H41C C41A H41D 108.9 . .
C37A C42A C41A 115.5(11) . .
C37A C42A H42C 108.4 . .
C41A C42A H42C 108.4 . .
C37A C42A H42D 108.4 . .
C41A C42A H42D 108.4 . .
H42C C42A H42D 107.5 . .
F3 As1 F4 98.7(6) . .
F3 As1 F6 96.9(5) . .
F22 As1 F6 88.9(4) . .
F4 As1 F6 96.4(4) . .
F21 As1 F6 87.8(3) . .
F3 As1 F5 84.1(4) . .
F22 As1 F5 89.8(3) . .
F4 As1 F5 84.4(4) . .
F21 As1 F5 92.2(2) . .
F6 As1 F5 178.6(3) . .
F22 As1 F23 91.4(4) . .
F21 As1 F23 170.3(3) . .
F6 As1 F23 86.7(2) . .
F5 As1 F23 93.4(2) . .
F22 As1 F24 173.3(4) . .
F21 As1 F24 88.3(4) . .
F6 As1 F24 86.6(3) . .
F5 As1 F24 94.7(3) . .
F23 As1 F24 83.3(3) . .
F3 As1 F2 91.1(5) . .
F4 As1 F2 163.7(6) . .
F6 As1 F2 95.3(4) . .
F5 As1 F2 83.7(4) . .
F3 As1 F1 168.8(5) . .
F4 As1 F1 86.8(5) . .
F6 As1 F1 92.1(4) . .
F5 As1 F1 86.8(4) . .
F2 As1 F1 81.4(5) . .
F13 As2 F13 180.00(15) 2_566 .
F13 As2 F12 89.93(18) 2_566 .
F13 As2 F12 90.07(19) . .
F13 As2 F12 90.07(19) 2_566 2_566
F13 As2 F12 89.93(18) . 2_566
F12 As2 F12 180.000(1) . 2_566
F13 As2 F11 89.6(3) 2_566 2_566
F13 As2 F11 90.4(3) . 2_566
F12 As2 F11 89.6(3) . 2_566
F12 As2 F11 90.4(3) 2_566 2_566
F13 As2 F11 90.4(3) 2_566 .
F13 As2 F11 89.6(3) . .
F12 As2 F11 90.4(3) . .
F12 As2 F11 89.6(3) 2_566 .
F11 As2 F11 180.000(1) 2_566 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C8A 1.932(17) 2_666
Rh1 C8A 1.932(17) .
Rh1 C1 1.973(6) 2_666
Rh1 C1 1.973(6) .
Rh1 C8 2.017(16) .
Rh1 C8 2.017(16) 2_666
Rh1 Rh2A 3.040(3) .
Rh1 Rh2A 3.040(3) 2_666
Rh1 Rh2 3.044(3) 2_666
Rh1 Rh2 3.044(3) .
C1 N1 1.135(7) .
N1 C2 1.461(8) .
C2 C3 1.514(9) .
C2 C7 1.529(7) .
C2 H2 1.0000 .
C3 C4 1.580(11) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.467(12) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.490(11) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 C7 1.526(8) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
Rh2 C15 1.893(13) .
Rh2 C22 1.981(11) .
Rh2 C29 2.003(17) .
Rh2 C36 2.081(14) .
Rh2A C36A 1.849(14) .
Rh2A C29A 1.861(18) .
Rh2A C22A 1.914(12) .
Rh2A C15A 2.024(16) .
C8 N2 1.15(2) .
N2 C9 1.431(15) .
C9 C10 1.504(14) .
C9 C14 1.540(15) .
C9 H9 1.0000 .
C10 C11 1.539(14) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C11 C12 1.559(15) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.495(15) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 C14 1.515(14) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C8A N2A 1.17(2) .
N2A C9A 1.465(17) .
C9A C10A 1.509(17) .
C9A C14A 1.538(19) .
C9A H9A 1.0000 .
C10A C11A 1.499(17) .
C10A H10C 0.9900 .
C10A H10D 0.9900 .
C11A C12A 1.50(2) .
C11A H11C 0.9900 .
C11A H11D 0.9900 .
C12A C13A 1.510(19) .
C12A H12C 0.9900 .
C12A H12D 0.9900 .
C13A C14A 1.527(18) .
C13A H13C 0.9900 .
C13A H13D 0.9900 .
C14A H14C 0.9900 .
C14A H14D 0.9900 .
C15 N3 1.178(16) .
N3 C16 1.459(17) .
C16 C17 1.499(19) .
C16 C21 1.515(17) .
C16 H16 1.0000 .
C17 C18 1.49(2) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.54(2) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.51(2) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C21 1.512(17) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C15A N3A 1.112(19) .
N3A C16A 1.465(17) .
C16A C17A 1.495(17) .
C16A C21A 1.530(16) .
C16A H16A 1.0000 .
C17A C18A 1.440(18) .
C17A H17C 0.9900 .
C17A H17D 0.9900 .
C18A C19A 1.520(19) .
C18A H18C 0.9900 .
C18A H18D 0.9900 .
C19A C20A 1.580(18) .
C19A H19C 0.9900 .
C19A H19D 0.9900 .
C20A C21A 1.478(16) .
C20A H20C 0.9900 .
C20A H20D 0.9900 .
C21A H21C 0.9900 .
C21A H21D 0.9900 .
C22 N4 1.115(13) .
N4 C23 1.475(12) .
C23 C28 1.472(14) .
C23 C24 1.537(13) .
C23 H23 1.0000 .
C24 C25 1.511(14) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.506(16) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 C27 1.493(15) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.533(14) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C22A N4A 1.159(14) .
N4A C23A 1.423(16) .
C23A C28A 1.452(18) .
C23A C24A 1.460(19) .
C23A H23A 1.0000 .
C24A C25A 1.46(2) .
C24A H24C 0.9900 .
C24A H24D 0.9900 .
C25A C26A 1.54(2) .
C25A H25C 0.9900 .
C25A H25D 0.9900 .
C26A C27A 1.50(2) .
C26A H26C 0.9900 .
C26A H26D 0.9900 .
C27A C28A 1.67(2) .
C27A H27C 0.9900 .
C27A H27D 0.9900 .
C28A H28C 0.9900 .
C28A H28D 0.9900 .
C29 N5 1.16(2) .
N5 C30 1.428(18) .
C30 C35 1.494(16) .
C30 C31 1.522(18) .
C30 H30 1.0000 .
C31 C32 1.636(19) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C33 1.474(19) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.525(19) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 C35 1.537(19) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C29A N5A 1.21(2) .
N5A C30A 1.48(2) .
C30A C31A 1.500(19) .
C30A C35A 1.557(18) .
C30A H30A 1.0000 .
C31A C32A 1.43(2) .
C31A H31C 0.9900 .
C31A H31D 0.9900 .
C32A C33A 1.52(2) .
C32A H32C 0.9900 .
C32A H32D 0.9900 .
C33A C34A 1.53(2) .
C33A H33C 0.9900 .
C33A H33D 0.9900 .
C34A C35A 1.473(19) .
C34A H34C 0.9900 .
C34A H34D 0.9900 .
C35A H35C 0.9900 .
C35A H35D 0.9900 .
C36 N6 1.096(19) .
N6 C37 1.417(17) .
C37 C42 1.42(2) .
C37 C38 1.55(2) .
C37 H37 1.0000 .
C38 C39 1.59(2) .
C38 H38A 0.9900 .
C38 H38B 0.9900 .
C39 C40 1.52(2) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 C41 1.56(3) .
C40 H40A 0.9900 .
C40 H40B 0.9900 .
C41 C42 1.41(2) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C36A N6A 1.198(18) .
N6A C37A 1.479(17) .
C37A C42A 1.467(16) .
C37A C38A 1.492(19) .
C37A H37A 1.0000 .
C38A C39A 1.44(2) .
C38A H38C 0.9900 .
C38A H38D 0.9900 .
C39A C40A 1.572(17) .
C39A H39C 0.9900 .
C39A H39D 0.9900 .
C40A C41A 1.51(2) .
C40A H40C 0.9900 .
C40A H40D 0.9900 .
C41A C42A 1.622(19) .
C41A H41C 0.9900 .
C41A H41D 0.9900 .
C42A H42C 0.9900 .
C42A H42D 0.9900 .
As1 F3 1.539(9) .
As1 F22 1.586(7) .
As1 F4 1.650(10) .
As1 F21 1.660(5) .
As1 F6 1.701(3) .
As1 F5 1.722(3) .
As1 F23 1.765(5) .
As1 F24 1.798(7) .
As1 F2 1.807(10) .
As1 F1 1.854(9) .
As2 F13 1.704(4) 2_566
As2 F13 1.704(4) .
As2 F12 1.721(4) .
As2 F12 1.721(4) 2_566
As2 F11 1.724(4) 2_566
As2 F11 1.724(4) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
N1 C2 C3 C4 -178.6(5) .
C7 C2 C3 C4 -57.8(7) .
C2 C3 C4 C5 55.7(9) .
C3 C4 C5 C6 -55.0(10) .
C4 C5 C6 C7 54.7(10) .
C5 C6 C7 C2 -56.4(8) .
N1 C2 C7 C6 -178.6(5) .
C3 C2 C7 C6 60.2(7) .
C8A Rh1 Rh2 C15 133.8(7) 2_666
C8A Rh1 Rh2 C15 -46.2(7) .
C1 Rh1 Rh2 C15 -132.5(4) 2_666
C1 Rh1 Rh2 C15 47.5(4) .
C8 Rh1 Rh2 C15 139.9(6) .
C8 Rh1 Rh2 C15 -40.1(6) 2_666
Rh2A Rh1 Rh2 C15 15(2) 2_666
C8A Rh1 Rh2 C22 -137.6(7) 2_666
C8A Rh1 Rh2 C22 42.4(7) .
C1 Rh1 Rh2 C22 -44.0(4) 2_666
C1 Rh1 Rh2 C22 136.0(4) .
C8 Rh1 Rh2 C22 -131.6(6) .
C8 Rh1 Rh2 C22 48.4(6) 2_666
Rh2A Rh1 Rh2 C22 103(2) 2_666
C8A Rh1 Rh2 C29 -52.7(6) 2_666
C8A Rh1 Rh2 C29 127.3(6) .
C1 Rh1 Rh2 C29 41.0(4) 2_666
C1 Rh1 Rh2 C29 -139.0(4) .
C8 Rh1 Rh2 C29 -46.6(6) .
C8 Rh1 Rh2 C29 133.4(6) 2_666
Rh2A Rh1 Rh2 C29 -172(2) 2_666
C8A Rh1 Rh2 C36 40.5(7) 2_666
C8A Rh1 Rh2 C36 -139.5(7) .
C1 Rh1 Rh2 C36 134.1(4) 2_666
C1 Rh1 Rh2 C36 -45.9(4) .
C8 Rh1 Rh2 C36 46.6(6) .
C8 Rh1 Rh2 C36 -133.4(6) 2_666
Rh2A Rh1 Rh2 C36 -79(2) 2_666
C8A Rh1 Rh2A C36A 140.8(8) 2_666
C8A Rh1 Rh2A C36A -39.2(8) .
C1 Rh1 Rh2A C36A 47.7(6) 2_666
C1 Rh1 Rh2A C36A -132.3(6) .
C8 Rh1 Rh2A C36A 135.1(7) .
C8 Rh1 Rh2A C36A -44.9(7) 2_666
Rh2 Rh1 Rh2A C36A -99(2) 2_666
C8A Rh1 Rh2A C29A -126.3(7) 2_666
C8A Rh1 Rh2A C29A 53.7(7) .
C1 Rh1 Rh2A C29A 140.6(6) 2_666
C1 Rh1 Rh2A C29A -39.4(6) .
C8 Rh1 Rh2A C29A -132.0(7) .
C8 Rh1 Rh2A C29A 48.0(7) 2_666
Rh2 Rh1 Rh2A C29A -7(2) 2_666
C8A Rh1 Rh2A C22A -36.0(7) 2_666
C8A Rh1 Rh2A C22A 144.0(7) .
C1 Rh1 Rh2A C22A -129.1(5) 2_666
C1 Rh1 Rh2A C22A 50.9(5) .
C8 Rh1 Rh2A C22A -41.8(7) .
C8 Rh1 Rh2A C22A 138.2(7) 2_666
Rh2 Rh1 Rh2A C22A 84(2) 2_666
C8A Rh1 Rh2A C15A 51.2(7) 2_666
C8A Rh1 Rh2A C15A -128.8(7) .
C1 Rh1 Rh2A C15A -41.9(4) 2_666
C1 Rh1 Rh2A C15A 138.1(4) .
C8 Rh1 Rh2A C15A 45.4(7) .
C8 Rh1 Rh2A C15A -134.6(7) 2_666
Rh2 Rh1 Rh2A C15A 171(2) 2_666
N2 C9 C10 C11 174.8(10) .
C14 C9 C10 C11 56.0(11) .
C9 C10 C11 C12 -55.9(12) .
C10 C11 C12 C13 56.2(12) .
C11 C12 C13 C14 -57.6(12) .
C12 C13 C14 C9 56.3(12) .
N2 C9 C14 C13 -175.3(9) .
C10 C9 C14 C13 -54.9(11) .
N2A C9A C10A C11A -174.4(12) .
C14A C9A C10A C11A -53.4(15) .
C9A C10A C11A C12A 55.0(16) .
C10A C11A C12A C13A -57.8(15) .
C11A C12A C13A C14A 60.8(15) .
C12A C13A C14A C9A -60.3(15) .
N2A C9A C14A C13A 178.2(11) .
C10A C9A C14A C13A 56.0(14) .
N3 C16 C17 C18 -68.6(15) .
C21 C16 C17 C18 49.7(16) .
C16 C17 C18 C19 -52.4(18) .
C17 C18 C19 C20 56.5(17) .
C18 C19 C20 C21 -58.9(15) .
C19 C20 C21 C16 56.3(15) .
N3 C16 C21 C20 65.6(14) .
C17 C16 C21 C20 -50.7(15) .
N3A C16A C17A C18A 66.6(14) .
C21A C16A C17A C18A -53.8(15) .
C16A C17A C18A C19A 57.9(17) .
C17A C18A C19A C20A -58.1(16) .
C18A C19A C20A C21A 57.0(14) .
C19A C20A C21A C16A -56.5(15) .
N3A C16A C21A C20A -66.1(15) .
C17A C16A C21A C20A 54.2(15) .
C28 C23 C24 C25 -51.7(11) .
N4 C23 C24 C25 70.2(10) .
C23 C24 C25 C26 49.9(11) .
C24 C25 C26 C27 -50.9(13) .
C25 C26 C27 C28 51.0(12) .
N4 C23 C28 C27 -64.8(10) .
C24 C23 C28 C27 53.3(11) .
C26 C27 C28 C23 -53.0(11) .
N4A C23A C24A C25A -71.7(17) .
C28A C23A C24A C25A 53.5(18) .
C23A C24A C25A C26A -50(2) .
C24A C25A C26A C27A 58(2) .
C25A C26A C27A C28A -53(2) .
N4A C23A C28A C27A 67.6(16) .
C24A C23A C28A C27A -59.7(18) .
C26A C27A C28A C23A 56(2) .
N5 C30 C31 C32 -70.6(12) .
C35 C30 C31 C32 53.3(15) .
C30 C31 C32 C33 -52.4(14) .
C31 C32 C33 C34 53.4(15) .
C32 C33 C34 C35 -55.0(16) .
N5 C30 C35 C34 65.3(14) .
C31 C30 C35 C34 -55.7(15) .
C33 C34 C35 C30 54.7(14) .
C29A N5A C30A C31A -50(8) .
C29A N5A C30A C35A 70(8) .
N5A C30A C31A C32A 58(2) .
C35A C30A C31A C32A -59(2) .
C30A C31A C32A C33A 59(2) .
C31A C32A C33A C34A -53(3) .
C32A C33A C34A C35A 56(3) .
C33A C34A C35A C30A -54(2) .
N5A C30A C35A C34A -71.4(16) .
C31A C30A C35A C34A 51.6(19) .
N6 C37 C38 C39 66.5(16) .
C42 C37 C38 C39 -56.0(17) .
C37 C38 C39 C40 49.7(18) .
C38 C39 C40 C41 -48.9(19) .
C39 C40 C41 C42 53(2) .
C40 C41 C42 C37 -54.6(18) .
N6 C37 C42 C41 -64.6(16) .
C38 C37 C42 C41 58.5(17) .
C36A N6A C37A C42A -109(8) .
C36A N6A C37A C38A 12(9) .
C42A C37A C38A C39A 53.4(19) .
N6A C37A C38A C39A -68.0(18) .
C37A C38A C39A C40A -52(2) .
C38A C39A C40A C41A 54.4(19) .
C39A C40A C41A C42A -51.8(15) .
N6A C37A C42A C41A 63.6(16) .
C38A C37A C42A C41A -57.4(17) .
C40A C41A C42A C37A 57.3(16) .
